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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM' and Ligand = 'BDBM50154387'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))		BDBM50154387
PNG
(CHEMBL3774528)
Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1Cl
Show InChI InChI=1S/C9H7ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h3H,2H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01974
BindingDB Entry DOI: 10.7270/Q2NP28F9
More data for this
Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))		BDBM50154387
PNG
(CHEMBL3774528)
Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1Cl
Show InChI InChI=1S/C9H7ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h3H,2H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126751
BindingDB Entry DOI: 10.7270/Q23X8B58
More data for this
Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))		BDBM50154387
PNG
(CHEMBL3774528)
Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1Cl
Show InChI InChI=1S/C9H7ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h3H,2H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 107n/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay

Bioorg Med Chem Lett 26: 1525-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.021
BindingDB Entry DOI: 10.7270/Q26W9CZZ
More data for this
Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))		BDBM50154387
PNG
(CHEMBL3774528)
Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1Cl
Show InChI InChI=1S/C9H7ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h3H,2H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 157n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01974
BindingDB Entry DOI: 10.7270/Q2NP28F9
More data for this
Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM


(Mus musculus)		BDBM50154387
PNG
(CHEMBL3774528)
Show SMILES Cc1sc2ncnc(SCC(O)=O)c2c1Cl
Show InChI InChI=1S/C9H7ClN2O2S2/c1-4-7(10)6-8(15-2-5(13)14)11-3-12-9(6)16-4/h3H,2H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 409n/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of mouse notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay

Bioorg Med Chem Lett 26: 1525-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.021
BindingDB Entry DOI: 10.7270/Q26W9CZZ
More data for this
Ligand-Target Pair